4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

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Chemical Name:4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
CAS No.:1257044-51-1
Molecular Formula:C₄₅H₅₀ClN₇O₇S
Molecular Weight:868.454
Hs Code.:

4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Synonyms:4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

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Chemical Property of 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

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Technology Process of 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

There total 12 articles about 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 1235865-77-6
[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

: 1228836-22-3
(S)-3-nitro-4-((tetrahydro-2H-pyran-3-yl)methylamino)benzenesulfonamide

: 1257044-51-1
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Guidance literature:: [2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]; (S)-3-nitro-4-((tetrahydro-2H-pyran-3-yl)methylamino)benzenesulfonamide; With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃;

With trifluoroacetic acid; In water; acetonitrile;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

: 183208-35-7
5-bromo-1H-pyrrolo[2,3-b]pyridine

: 1257044-51-1
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Guidance literature:: Multi-step reaction with 6 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / 24 h / 20 °C

2.1: n-butyllithium; Trimethyl borate / tetrahydrofuran / 1 h / -78 - 20 °C

2.2: 1 h / 0 °C

3.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C

4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C

5.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C

6.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

With dmap; potassium phosphate; dipotassium hydrogenphosphate; n-butyllithium; Trimethyl borate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; 1,4-dioxane; dichloromethane; diethylene glycol dimethyl ether; dimethyl sulfoxide;

Reference yield:

: 32767-46-7
methyl 4,4-dimethyl-2-oxocyclohexancarboxylate

: 1257044-51-1
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(3-nitro-4-{[(3S)-tetrahydro-2H-pyran-3-ylmethyl]amino}phenyl)sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Guidance literature:: Multi-step reaction with 8 steps

1.1: sodium hydride / dichloromethane / 0.5 h / 0 °C

1.2: 24 h / -78 - 20 °C

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / methanol; 1,2-dimethoxyethane / 24 h / 70 °C

3.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C

4.1: triethylamine; methanesulfonyl chloride / dichloromethane / 24 h / 0 - 20 °C

5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h

6.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C

7.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C

8.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C

With methanol; triethylsilane; dmap; dipotassium hydrogenphosphate; lithium borohydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; methanesulfonyl chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; sodium hydroxide; In 1,4-dioxane; methanol; 1,2-dimethoxyethane; diethyl ether; dichloromethane; dimethyl sulfoxide;